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Home Halogens Ethyl 3-bromobenzoate

Ethyl 3-bromobenzoate

CAS No.:
24398-88-7
Catalog Number:
AG007NI8
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$157
- +
500g
98%
In Stock USA
United States
$657
- +
Product Description
Catalog Number:
AG007NI8
Chemical Name:
Ethyl 3-bromobenzoate
CAS Number:
24398-88-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00013529
IUPAC Name:
ethyl 3-bromobenzoate
InChI:
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChI Key:
QAUASTLEZAPQTB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)Br
EC Number:
246-223-9
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. Journal of the American Chemical Society 20120411
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20100301
Properties